SCHEMBL2063899

SCHEMBL2063899

COC(=O)C(C)c1ccc(C=O)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.48
PTGS2 P35354 3/20 0.44
PTGS1 P23219 3/20 0.44
MAOB P27338 6/20 0.43
TYR P14679 1/20 0.41
APP P05067 2/20 0.41
CYP2C19 P33261 1/20 0.41
PGR P06401 1/20 0.40
PDE4A P27815 1/20 0.40
MEN1 O00255 1/20 0.39
FABP2 P12104 1/20 0.39
TSHR P16473 1/20 0.39
AKR1C4 P17516 1/20 0.39
ADRA2B P18089 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2C P28335 1/20 0.39
DRD3 P35462 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
KMT2A Q03164 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13194591 0.87 MT-CO2 (0.44) MT-CO2PTGS2PTGS1MAOBAPP
SCHEMBL2846109 0.83 TYR (0.63) MT-CO2PTGS2PTGS1MAOBTYR
SCHEMBL31560842 0.82 PTGS1 (0.50) MT-CO2PTGS2PTGS1MAOBAPP
SCHEMBL2064162 0.82 MT-CO2 (0.48) MT-CO2PTGS2PTGS1TYR
SCHEMBL19392984 0.80 MT-CO2 (0.55) MT-CO2PTGS2PTGS1MAOBAPP
SCHEMBL10967797 0.80 MT-CO2 (0.55) MT-CO2PTGS2PTGS1MAOBAPP
SCHEMBL7587589 0.79 ERN1 (0.48) MT-CO2PTGS2PTGS1TSHR
SCHEMBL24875457 0.78 MT-CO2 (0.47) MT-CO2PTGS2PTGS1MAOBAPP
SCHEMBL13194589 0.78 MT-CO2 (0.47) MT-CO2PTGS2PTGS1MAOBAPP
SCHEMBL8476208 0.78 MT-CO2 (0.47) MT-CO2PTGS2PTGS1MAOBAPP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2062884-B1 Phenylacetic acid derivatives and pharmaceutical composition thereof FUJI YAKUHIN CO LTD (JP) 2013-02-20 EP disclosed
US-8148421-B2 Phenylacetic acid derivative FUJI YAKUHIN CO., LTD. (JP) 2012-04-03 US disclosed
US-20100048666-A1 NOVEL PHENYLACETIC ACID DERIVATIVE FUJI YAKUHIN CO., LTD. (JP) 2010-02-25 US disclosed
EP-2062884-A1 NOVEL PHENYLACETIC ACID DERIVATIVE Fuji Yakuhin Co., Ltd. (JP) 2009-05-27 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100048666-A1 NOVEL PHENYLACETIC ACID DERIVATIVE PTGS1, PTGER1, PTGDR MT-CO2 1076/4885PTGS2 7/4885PTGS1 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.